2,9-dibromo-6,13-bis(decyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2,9-dibromo-6,13-bis(decyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

Formula: C34H44Br2N2O4

SMILES: CCCCCCCCCCN1C(=O)C2=CC(Br)=C3C(=O)N(CCCCCCCCCC)C(=O)C4=C3C2=C(C(Br)=C4)C1=O

IUPAC: 2,9-dibromo-6,13-bis(decyl)-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

InChI: InChI=1S/C34H44Br2N2O4/c1-3-5-7-9-11-13-15-17-19-37-31(39)23-21-26(36)30-28-24(22-25(35)29(27(23)28)33(37)41)32(40)38(34(30)42)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3

Composition: C (57.96%), H (6.30%), Br (22.68%), N (3.98%), O (9.08%)

Molar Mass: 704.544

Atom Count: 86

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	702.166784
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QZEXIVRRZCSYLZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	177.02
Topological Polar Surface Area	74.76
Polarizability	67.76
Ring Count	4
Rotatable Bond Count	18

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C34H44Br2N2O4		Quote Only